N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-N-[2-(methoxyamino)-2-oxidanylidene-ethyl]-2-(naphthalen-2-ylsulfonylamino)butanediamide

Systemtic Name: N'-(2-azanyl-2-azanylidene-1-piperidin-3-yl-ethyl)-N-cyclopropyl-N-[2-(methoxyamino)-2-oxidanylidene-ethyl]-2-(naphthalen-2-ylsulfonylamino)butanediamide Openeye Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-(methoxyamino)-2-oxo-ethyl]-2-(2-naphthylsulfonylamino)butanediamide CAS Name: N'-[2-amino-2-imino-1-(3-piperidinyl)ethyl]-N-cyclopropyl-N-[2-(methoxyamino)-2-oxoethyl]-2-(2-naphthalenylsulfonylamino)butanediamide IUPAC Name: N'-(2-amino-2-imino-1-piperidin-3-ylethyl)-N-cyclopropyl-N-[2-(methoxyamino)-2-oxoethyl]-2-(naphthalen-2-ylsulfonylamino)butanediamide Traditional Name: N'-[2-amino-2-imino-1-(3-piperidyl)ethyl]-N-cyclopropyl-N-[2-keto-2-(methoxyamino)ethyl]-2-(2-naphthylsulfonylamino)succinamide Formula: C27H37N7O6S MolecularWeight: 587.69098

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Descriptors Computed from Structure

Canonical SMILES:

CONC(=O)CN(C1CC1)C(=O)C(CC(=O)NC(C2CCCNC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CONC(=O)CN(C1CC1)C(=O)C(CC(=O)NC(C2CCCNC2)C(=N)N)NS(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C27H37N7O6S/c1-40-32-24(36)16-34(20-9-10-20)27(37)22(14-23(35)31-25(26(28)29)19-7-4-12-30-15-19)33-41(38,39)21-11-8-17-5-2-3-6-18(17)13-21/h2-3,5-6,8,11,13,19-20,22,25,30,33H,4,7,9-10,12,14-16H2,1H3,(H3,28,29)(H,31,35)(H,32,36)